4-(3-fluoro-5-iodophenyl)pyrrolidin-2-one

C10H9FINO — CID 135307254

IUPAC4-(3-fluoro-5-iodophenyl)pyrrolidin-2-one
SMILESO=C1CC(c2cc(F)cc(I)c2)CN1
InChIInChI=1S/C10H9FINO/c11-8-1-6(2-9(12)4-8)7-3-10(14)13-5-7/h1-2,4,7H,3,5H2,(H,13,14)
InChIKeyOEPUIQFLOCAWHL-UHFFFAOYSA-N
MW305.09 g/mol
LogP2.03
Rot. Bonds1

About 4-(3-fluoro-5-iodophenyl)pyrrolidin-2-one

4-(3-fluoro-5-iodophenyl)pyrrolidin-2-one (PubChem CID 135307254) has the molecular formula C10H9FINO and a molecular weight of 305.09 g/mol. Its IUPAC name is 4-(3-fluoro-5-iodophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(3-fluoro-5-iodophenyl)pyrrolidin-2-one
PubChem CID135307254
Molecular FormulaC10H9FINO
Molecular Weight305.09 g/mol
Exact Mass304.97
IUPAC Name4-(3-fluoro-5-iodophenyl)pyrrolidin-2-one
SMILESO=C1CC(c2cc(F)cc(I)c2)CN1
InChIInChI=1S/C10H9FINO/c11-8-1-6(2-9(12)4-8)7-3-10(14)13-5-7/h1-2,4,7H,3,5H2,(H,13,14)
InChIKeyOEPUIQFLOCAWHL-UHFFFAOYSA-N
XLogP2.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.09
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-5-iodophenyl)pyrrolidin-2-one?
The IUPAC name of 4-(3-fluoro-5-iodophenyl)pyrrolidin-2-one (CID 135307254) is 4-(3-fluoro-5-iodophenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(3-fluoro-5-iodophenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(3-fluoro-5-iodophenyl)pyrrolidin-2-one is O=C1CC(c2cc(F)cc(I)c2)CN1.
What is the InChIKey of 4-(3-fluoro-5-iodophenyl)pyrrolidin-2-one?
The InChIKey is OEPUIQFLOCAWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FINO/c11-8-1-6(2-9(12)4-8)7-3-10(14)13-5-7/h1-2,4,7H,3,5H2,(H,13,14).
What are the key properties of 4-(3-fluoro-5-iodophenyl)pyrrolidin-2-one?
4-(3-fluoro-5-iodophenyl)pyrrolidin-2-one has a molecular weight of 305.09 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-5-iodophenyl)pyrrolidin-2-one is sourced from PubChem (CID 135307254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).